lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide

C11H11LiN2O — CID 23691147

IUPAClithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide
SMILESCOc1ccc(Cn2c[c-]cn2)cc1.[Li+]
InChIInChI=1S/C11H11N2O.Li/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13;/h3-8H,9H2,1H3;/q-1;+1
InChIKeyODNDQQHEYHNLRT-UHFFFAOYSA-N
MW194.16 g/mol
LogP-1.26
Rot. Bonds3

About lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide

lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide (PubChem CID 23691147) has the molecular formula C11H11LiN2O and a molecular weight of 194.16 g/mol. Its IUPAC name is lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide.

Molecular Properties

Compound Namelithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide
PubChem CID23691147
Molecular FormulaC11H11LiN2O
Molecular Weight194.16 g/mol
Exact Mass194.10
IUPAC Namelithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide
SMILESCOc1ccc(Cn2c[c-]cn2)cc1.[Li+]
InChIInChI=1S/C11H11N2O.Li/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13;/h3-8H,9H2,1H3;/q-1;+1
InChIKeyODNDQQHEYHNLRT-UHFFFAOYSA-N
XLogP-1.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
1-[(4-methoxyphenyl)methyl]-3-methylsulfonyl-1,2,4-triazole
CID 141410970
2-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]acetonitrile
CID 171338528
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
CID 69000286
[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]boronic acid
CID 175477435
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
CID 177223164

Frequently Asked Questions

What is the IUPAC name of lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide?
The IUPAC name of lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide (CID 23691147) is lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide.
What is the SMILES notation for lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide?
The canonical SMILES for lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide is COc1ccc(Cn2c[c-]cn2)cc1.[Li+].
What is the InChIKey of lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide?
The InChIKey is ODNDQQHEYHNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.Li/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13;/h3-8H,9H2,1H3;/q-1;+1.
What are the key properties of lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide?
lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide has a molecular weight of 194.16 g/mol, XLogP of -1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide is sourced from PubChem (CID 23691147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).